Authors: Y. Kadiri, D. Simon, G. Picard
Affilation: Ahuntsic College, Canada
Pages: 631 - 634
Keywords: nano crystalline cellulose, structural and optical properties, large-scale parallel molecular dynamics
Structural and optical properties of Nano Crystalline Cellulose (NCC) in liquid solutions and in solid films were investigated by large-scale parallel molecular dynamics (MD) simulation using empirical Coulombian interaction potentials. Our calculations give a good description of the self-organization of NCC in liquid solution and in solid films and allow us to question the NCC nematic structure theory and propose an alternative structure theory.